(E)-3-thiophen-2-ylprop-2-enal

C7H6OS — CID 5462881

IUPAC(E)-3-thiophen-2-ylprop-2-enal
SMILESO=C/C=C/c1cccs1
InChIInChI=1S/C7H6OS/c8-5-1-3-7-4-2-6-9-7/h1-6H/b3-1+
InChIKeyIEAUKTACQUVNLS-HNQUOIGGSA-N
MW138.19 g/mol
LogP1.96
Rot. Bonds2

About (E)-3-thiophen-2-ylprop-2-enal

(E)-3-thiophen-2-ylprop-2-enal (PubChem CID 5462881) has the molecular formula C7H6OS and a molecular weight of 138.19 g/mol. Its IUPAC name is (E)-3-thiophen-2-ylprop-2-enal.

Molecular Properties

Compound Name(E)-3-thiophen-2-ylprop-2-enal
PubChem CID5462881
Molecular FormulaC7H6OS
Molecular Weight138.19 g/mol
Exact Mass138.01
IUPAC Name(E)-3-thiophen-2-ylprop-2-enal
SMILESO=C/C=C/c1cccs1
InChIInChI=1S/C7H6OS/c8-5-1-3-7-4-2-6-9-7/h1-6H/b3-1+
InChIKeyIEAUKTACQUVNLS-HNQUOIGGSA-N
XLogP1.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-thiophen-2-ylprop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-ylprop-2-enal?
The IUPAC name of (E)-3-thiophen-2-ylprop-2-enal (CID 5462881) is (E)-3-thiophen-2-ylprop-2-enal.
What is the SMILES notation for (E)-3-thiophen-2-ylprop-2-enal?
The canonical SMILES for (E)-3-thiophen-2-ylprop-2-enal is O=C/C=C/c1cccs1.
What is the InChIKey of (E)-3-thiophen-2-ylprop-2-enal?
The InChIKey is IEAUKTACQUVNLS-HNQUOIGGSA-N. The full InChI is InChI=1S/C7H6OS/c8-5-1-3-7-4-2-6-9-7/h1-6H/b3-1+.
What are the key properties of (E)-3-thiophen-2-ylprop-2-enal?
(E)-3-thiophen-2-ylprop-2-enal has a molecular weight of 138.19 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-ylprop-2-enal is sourced from PubChem (CID 5462881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).